N-[[1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-4-yl]methyl]-2-pyrrolidin-1-yl-ethanamine

Systemtic Name: N-[[1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-4-yl]methyl]-2-pyrrolidin-1-yl-ethanamine Openeye Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydrobenzothiophen-4-yl]methyl]-2-pyrrolidin-1-yl-ethanamine CAS Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]methyl]-2-(1-pyrrolidinyl)ethanamine IUPAC Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]methyl]-2-pyrrolidin-1-ylethanamine Traditional Name: (3-besyl-1,1-diketo-2,3-dihydrobenzothiophen-4-yl)methyl-(2-pyrrolidinoethyl)amine Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNCC2=C3C(CS(=O)(=O)C3=CC=C2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCNCC2=C3C(CS(=O)(=O)C3=CC=C2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H26N2O4S2/c24-28(25)16-20(29(26,27)18-8-2-1-3-9-18)21-17(7-6-10-19(21)28)15-22-11-14-23-12-4-5-13-23/h1-3,6-10,20,22H,4-5,11-16H2